Geometry & MOs

Info

ID:	74023
PubChem CID:	48421365
Reduced:	SO2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	3.61
IP(EA), eV:	-9.47(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)NC1=NN=C(S1)C2=CC=CC=N2

DOS

IR

Vibrations